SCHEMBL12947694

SCHEMBL12947694

CC(=O)Oc1ccc(-c2nc(-c3ccc(O)cc3)no2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.67
▸ NPC1 O15118 8/20 0.67
▸ SMN1; SMN2 Q16637 8/20 0.67
▸ TP53 P04637 3/20 0.67
▸ PKM P14618 3/20 0.67
▸ LMNA P02545 2/20 0.63
▸ NFKB1 P19838 2/20 0.63
▸ NFKB2 Q00653 2/20 0.63
▸ RELA Q04206 2/20 0.63
▸ TSHR P16473 1/20 0.63
▸ MAPT P10636 5/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ S1PR1 P21453 2/20 0.51
▸ NR1H4 Q96RI1 1/20 0.51
▸ PPARD Q03181 1/20 0.51
▸ PPARA Q07869 1/20 0.51
▸ TPH1 P17752 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ HSD17B10 Q99714 2/20 0.49
▸ GSTP1 P09211 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12267142 0.89 RAB9A (0.67) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL3057134 0.82 RAB9A (0.74) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL20968228 0.78 RAB9A (0.68) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL16769349 0.78 NPC1 (0.68) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL35210453 0.78 NPC1 (0.64) RAB9ANPC1SMN1; SMN2TP53LMNA
SCHEMBL6853303 0.78 HSD17B10 (0.66) SMN1; SMN2TP53PKMLMNAMAPT
SCHEMBL20968229 0.77 RAB9A (0.55) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL17831085 0.77 KMT2A (0.62) RAB9ANPC1SMN1; SMN2TP53LMNA
SCHEMBL20968212 0.77 NR1H4 (0.59) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL3057263 0.77 NR1H4 (0.61) RAB9ANPC1SMN1; SMN2TP53PKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7871538-B2 Liquid crystal composition, retardation plate, and elliptic polarizing plate FUJIFILM CORPORATION (JP) 2011-01-18 — — US disclosed
US-20080186443-A1 Liquid Crystal Composition, Retardation Plate, and Elliptic Polarizing Plate FUJIFILM CORPORATION (JP) 2008-08-07 — — US disclosed
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